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{
"id": "mp-1195412",
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"structure_string": "Ca16 Co16 O40\n1.0\n5.366561 0.000000 0.000000\n0.000000 11.145958 0.000000\n0.000000 0.019430 14.774814\nCa Co O\n16 16 40\ndirect\n0.986757 0.760795 0.605116 Ca\n0.986757 0.739205 0.394884 Ca\n0.013243 0.239205 0.394884 Ca\n0.013243 0.260795 0.605116 Ca\n0.983616 0.763007 0.889921 Ca\n0.983616 0.736993 0.110079 Ca\n0.016384 0.236993 0.110079 Ca\n0.016384 0.263007 0.889921 Ca\n0.514196 0.989305 0.890126 Ca\n0.514196 0.510695 0.109874 Ca\n0.485804 0.010695 0.109874 Ca\n0.485804 0.489305 0.890126 Ca\n0.512650 0.989261 0.605084 Ca\n0.512650 0.510739 0.394916 Ca\n0.487350 0.010739 0.394916 Ca\n0.487350 0.489261 0.605084 Ca\n0.447399 0.717003 0.746000 Co\n0.447399 0.782997 0.254000 Co\n0.552601 0.282997 0.254000 Co\n0.552601 0.217003 0.746000 Co\n0.954426 0.530992 0.747356 Co\n0.954426 0.969008 0.252644 Co\n0.045574 0.469008 0.252644 Co\n0.045574 0.030992 0.747356 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.493925 0.750000 0.000000 Co\n0.506075 0.250000 0.000000 Co\n0.494194 0.750000 0.500000 Co\n0.505806 0.250000 0.500000 Co\n0.591355 0.558050 0.748229 O\n0.591355 0.941950 0.251771 O\n0.408645 0.441950 0.251771 O\n0.408645 0.058050 0.748229 O\n0.086720 0.692823 0.748439 O\n0.086720 0.807177 0.251561 O\n0.913280 0.307177 0.251561 O\n0.913280 0.192823 0.748439 O\n0.515781 0.785127 0.854209 O\n0.515781 0.714873 0.145791 O\n0.484219 0.214873 0.145791 O\n0.484219 0.285127 0.854209 O\n0.503988 0.779184 0.633478 O\n0.503988 0.720816 0.366522 O\n0.496012 0.220816 0.366522 O\n0.496012 0.279184 0.633478 O\n0.023722 0.469229 0.636552 O\n0.023722 0.030771 0.363448 O\n0.976278 0.530771 0.363448 O\n0.976278 0.969229 0.636552 O\n0.760468 0.373492 0.486309 O\n0.760468 0.126508 0.513691 O\n0.239532 0.626508 0.513691 O\n0.239532 0.873492 0.486309 O\n0.745023 0.621851 0.516839 O\n0.745023 0.878149 0.483161 O\n0.254977 0.378149 0.483161 O\n0.254977 0.121851 0.516839 O\n0.753299 0.369301 0.010898 O\n0.753299 0.130699 0.989102 O\n0.246701 0.630699 0.989102 O\n0.246701 0.869301 0.010898 O\n0.739486 0.628321 0.984531 O\n0.739486 0.871679 0.015469 O\n0.260514 0.371679 0.015469 O\n0.260514 0.128321 0.984531 O\n0.024450 0.469201 0.858200 O\n0.024450 0.030799 0.141800 O\n0.975550 0.530799 0.141800 O\n0.975550 0.969201 0.858200 O\n",
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{
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"created_at": "2022-09-04T14:48:31.707806Z",
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{
"id": "mp-19092",
"created_at": "2022-09-04T14:48:23.866515Z",
"structure_string": "Co2 W2 O8\n1.0\n4.701102 -0.049722 -0.000056\n-0.013787 5.061683 0.000171\n-0.000375 0.000326 5.766850\nCo W O\n2 2 8\ndirect\n0.500321 0.750314 0.342041 Co\n0.500310 0.250267 0.658201 Co\n0.999938 0.749997 0.827445 W\n0.999929 0.249989 0.172581 W\n0.740850 0.100634 0.374817 O\n0.259604 0.399811 0.373715 O\n0.740870 0.600629 0.625120 O\n0.259452 0.899898 0.626171 O\n0.782350 0.568838 0.108689 O\n0.217018 0.430398 0.890420 O\n0.782334 0.068845 0.891269 O\n0.217023 0.930382 0.109533 O\n",
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"formula_full": "Co2 W2 O8",
"formula_reduced": "CoWO4",
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"updated_at": "2021-11-28T01:39:37.699000Z",
"spacegroup": 13
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{
"id": "mp-1101912",
"created_at": "2022-09-04T14:48:21.349123Z",
"structure_string": "Ba4 Si4 Pt4\n1.0\n6.716685 0.000000 0.000000\n0.000000 6.716685 0.000000\n0.000000 0.000000 6.716685\nBa Si Pt\n4 4 4\ndirect\n0.881907 0.881907 0.881907 Ba\n0.618093 0.118093 0.381907 Ba\n0.118093 0.381907 0.618093 Ba\n0.381907 0.618093 0.118093 Ba\n0.594802 0.594802 0.594802 Si\n0.905198 0.405198 0.094802 Si\n0.405198 0.094802 0.905198 Si\n0.094802 0.905198 0.405198 Si\n0.156056 0.156056 0.156056 Pt\n0.343944 0.843944 0.656056 Pt\n0.843944 0.656056 0.343944 Pt\n0.656056 0.343944 0.843944 Pt\n",
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{
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"created_at": "2022-09-04T14:48:23.871184Z",
"structure_string": "K8 Ga8 F32\n1.0\n7.623223 0.000000 0.000000\n0.000000 7.806387 0.000000\n0.000000 0.000000 12.401560\nK Ga F\n8 8 32\ndirect\n0.250000 0.374403 0.472558 K\n0.750000 0.625597 0.527442 K\n0.750000 0.874403 0.027442 K\n0.250000 0.125597 0.972558 K\n0.750000 0.375327 0.015364 K\n0.250000 0.624673 0.984636 K\n0.250000 0.875327 0.484636 K\n0.750000 0.124673 0.515364 K\n0.500701 0.624989 0.251564 Ga\n0.000701 0.375011 0.748436 Ga\n0.499299 0.124989 0.248436 Ga\n0.999299 0.875011 0.751564 Ga\n0.499299 0.375011 0.748436 Ga\n0.999299 0.624989 0.251564 Ga\n0.500701 0.875011 0.751564 Ga\n0.000701 0.124989 0.248436 Ga\n0.546402 0.615540 0.104724 F\n0.046402 0.384460 0.895276 F\n0.453598 0.115540 0.395276 F\n0.953598 0.884460 0.604724 F\n0.453598 0.384460 0.895276 F\n0.953598 0.615540 0.104724 F\n0.546402 0.884460 0.604724 F\n0.046402 0.115540 0.395276 F\n0.455739 0.634062 0.398580 F\n0.955739 0.365938 0.601420 F\n0.544261 0.134062 0.101420 F\n0.044261 0.865938 0.898580 F\n0.544261 0.365938 0.601420 F\n0.044261 0.634062 0.398580 F\n0.455739 0.865938 0.898580 F\n0.955739 0.134062 0.101420 F\n0.039758 0.124988 0.754216 F\n0.539758 0.875012 0.245784 F\n0.960242 0.624988 0.745784 F\n0.460242 0.375012 0.254216 F\n0.960242 0.875012 0.245784 F\n0.460242 0.124988 0.754216 F\n0.039758 0.375012 0.254216 F\n0.539758 0.624988 0.745784 F\n0.750000 0.160457 0.283002 F\n0.250000 0.839543 0.716997 F\n0.250000 0.660457 0.216998 F\n0.750000 0.339543 0.783003 F\n0.250000 0.089380 0.212540 F\n0.750000 0.910620 0.787460 F\n0.750000 0.589380 0.287460 F\n0.250000 0.410620 0.712540 F\n",
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{
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"created_at": "2022-09-04T14:39:05.097011Z",
"structure_string": "Mg3 Si2 H4 O9\n1.0\n2.685694 -4.651758 0.000000\n2.685694 4.651758 0.000000\n0.000000 0.000000 7.377575\nMg Si H O\n3 2 4 9\ndirect\n0.331419 0.000000 0.458842 Mg\n0.000000 0.331419 0.458842 Mg\n0.668581 0.668581 0.458842 Mg\n0.333333 0.666667 0.077194 Si\n0.666667 0.333333 0.077194 Si\n0.000000 0.000000 0.176963 H\n0.349481 0.349481 0.722802 H\n0.000000 0.650519 0.722802 H\n0.650519 0.000000 0.722802 H\n0.000000 0.000000 0.308063 O\n0.333333 0.666667 0.295373 O\n0.666667 0.333333 0.295373 O\n0.511409 0.000000 0.994115 O\n0.000000 0.511409 0.994115 O\n0.488591 0.488591 0.994115 O\n0.664647 0.000000 0.591488 O\n0.000000 0.664647 0.591488 O\n0.335353 0.335353 0.591488 O\n",
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{
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"structure_string": "Zn8 B8 Pb4 O24\n1.0\n5.033788 0.000000 0.000000\n0.000000 10.741170 0.000000\n0.000000 0.000000 11.523021\nZn B Pb O\n8 8 4 24\ndirect\n0.181173 0.849585 0.500729 Zn\n0.681173 0.150415 0.000729 Zn\n0.318827 0.349585 0.500729 Zn\n0.818827 0.150415 0.499271 Zn\n0.318827 0.849585 0.999271 Zn\n0.818827 0.650415 0.000729 Zn\n0.681173 0.650415 0.499271 Zn\n0.181173 0.349585 0.999271 Zn\n0.693729 0.415944 0.101710 B\n0.306271 0.084056 0.601710 B\n0.306271 0.584056 0.898290 B\n0.806271 0.915944 0.101710 B\n0.193729 0.084056 0.898290 B\n0.693729 0.915944 0.398290 B\n0.806271 0.415944 0.398290 B\n0.193729 0.584056 0.601710 B\n0.250000 0.559410 0.250000 Pb\n0.750000 0.440590 0.750000 Pb\n0.250000 0.059410 0.250000 Pb\n0.750000 0.940590 0.750000 Pb\n0.660384 0.522526 0.376525 O\n0.339616 0.477474 0.623475 O\n0.318148 0.186865 0.946811 O\n0.318148 0.686865 0.553189 O\n0.339616 0.977474 0.876525 O\n0.681852 0.813135 0.053189 O\n0.839616 0.022526 0.376525 O\n0.681852 0.313135 0.446811 O\n0.577971 0.589439 0.875356 O\n0.922029 0.089439 0.875356 O\n0.660384 0.022526 0.123475 O\n0.160384 0.477474 0.876525 O\n0.181852 0.686865 0.946811 O\n0.922029 0.589439 0.624644 O\n0.181852 0.186865 0.553189 O\n0.577971 0.089439 0.624644 O\n0.077971 0.910561 0.124644 O\n0.422029 0.910561 0.375356 O\n0.160384 0.977474 0.623475 O\n0.818148 0.313135 0.053189 O\n0.077971 0.410561 0.375356 O\n0.839616 0.522526 0.123475 O\n0.818148 0.813135 0.446811 O\n0.422029 0.410561 0.124644 O\n",
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{
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],
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"formula_full": "Cd4 P8 H40 N8 O32",
"formula_reduced": "CdP2H10(NO4)2",
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},
{
"id": "mp-1019579",
"created_at": "2022-09-04T14:48:22.100475Z",
"structure_string": "Ca8 Mg24 Si8 N32\n1.0\n-5.746007 5.746007 6.746677\n5.746007 -5.746007 6.746677\n5.746007 5.746007 -6.746677\nCa Mg Si N\n8 24 8 32\ndirect\n0.195072 0.231518 0.492214 Ca\n0.739304 0.702858 0.507786 Ca\n0.981518 0.989304 0.536446 Ca\n0.452858 0.445072 0.463554 Ca\n0.554928 0.018482 0.007786 Ca\n0.010696 0.547142 0.992214 Ca\n0.768482 0.260696 0.963554 Ca\n0.297142 0.804928 0.036446 Ca\n0.167160 0.307061 0.867564 Mg\n0.439496 0.299596 0.132436 Mg\n0.057061 0.689496 0.639901 Mg\n0.049596 0.417160 0.360099 Mg\n0.582840 0.942939 0.632436 Mg\n0.310504 0.950404 0.367564 Mg\n0.692939 0.560504 0.860099 Mg\n0.700404 0.832840 0.139901 Mg\n0.452313 0.274326 0.856003 Mg\n0.418323 0.596310 0.143997 Mg\n0.024326 0.668323 0.322013 Mg\n0.346310 0.702313 0.677987 Mg\n0.297687 0.975674 0.643997 Mg\n0.331677 0.653690 0.356003 Mg\n0.725674 0.581677 0.177987 Mg\n0.403690 0.547687 0.822013 Mg\n0.907209 0.092130 0.126510 Mg\n0.965620 0.780699 0.873490 Mg\n0.842130 0.215620 0.684920 Mg\n0.530699 0.157209 0.315080 Mg\n0.842791 0.157870 0.373490 Mg\n0.784380 0.469301 0.626510 Mg\n0.907870 0.034380 0.815080 Mg\n0.219301 0.092791 0.184920 Mg\n0.000934 0.860133 0.219061 Si\n0.641072 0.781873 0.780939 Si\n0.610133 0.891072 0.359199 Si\n0.531873 0.250934 0.640801 Si\n0.749066 0.389867 0.280939 Si\n0.108928 0.468127 0.719061 Si\n0.139867 0.358928 0.140801 Si\n0.218127 0.999066 0.859199 Si\n0.247017 0.138335 0.807516 N\n0.330819 0.439502 0.192484 N\n0.888335 0.580819 0.391318 N\n0.189502 0.497017 0.608682 N\n0.502983 0.111665 0.692484 N\n0.419181 0.810498 0.307516 N\n0.861665 0.669181 0.108682 N\n0.560498 0.752983 0.891318 N\n0.926781 0.997027 0.267886 N\n0.729140 0.658894 0.732114 N\n0.747027 0.979140 0.570246 N\n0.408894 0.176781 0.429754 N\n0.823219 0.252973 0.232114 N\n0.020860 0.591106 0.767886 N\n0.002973 0.270860 0.929754 N\n0.341106 0.073219 0.070246 N\n0.135485 0.896604 0.413534 N\n0.483070 0.721951 0.586466 N\n0.646604 0.733070 0.261120 N\n0.471951 0.385485 0.738880 N\n0.614515 0.353396 0.086466 N\n0.266930 0.528049 0.913534 N\n0.103396 0.516930 0.238880 N\n0.278049 0.864515 0.761120 N\n0.002605 0.269702 0.623838 N\n0.645865 0.378767 0.376162 N\n0.019702 0.895865 0.767097 N\n0.128767 0.252605 0.232903 N\n0.747395 0.980298 0.876162 N\n0.104135 0.871233 0.123838 N\n0.730298 0.354135 0.732903 N\n0.621233 0.997395 0.267097 N\n",
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"formula_full": "Ca8 Mg24 Si8 N32",
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{
"id": "mp-1182326",
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"structure_string": "Ca2 B5 Cl1 O10\n1.0\n6.267075 0.000000 0.000000\n-3.004906 -5.818411 0.000000\n-3.102909 0.361983 -5.756798\nCa B Cl O\n2 5 1 10\ndirect\n0.990142 0.951854 0.000455 Ca\n0.671219 0.549287 0.479806 Ca\n0.345981 0.871973 0.482656 B\n0.690864 0.089302 0.332290 B\n0.100543 0.034362 0.552779 B\n0.495384 0.016130 0.886639 B\n0.126379 0.423117 0.435152 B\n0.150216 0.494687 0.937649 Cl\n0.905341 0.570979 0.878711 O\n0.320408 0.642509 0.452141 O\n0.550332 0.959077 0.729709 O\n0.084244 0.853058 0.433429 O\n0.430331 0.028114 0.315434 O\n0.680563 0.033759 0.114184 O\n0.861960 0.351261 0.385855 O\n0.831700 0.971810 0.517984 O\n0.268141 0.048186 0.812631 O\n0.225854 0.262334 0.468995 O\n",
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{
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"structure_string": "Ir2 F6\n1.0\n4.925030 -2.515101 0.000000\n4.925030 2.515101 0.000000\n3.640625 0.000000 4.162632\nIr F\n2 6\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.410569 0.089431 0.750000 F\n0.589431 0.910569 0.250000 F\n0.750000 0.410569 0.089431 F\n0.089431 0.750000 0.410569 F\n0.910569 0.250000 0.589431 F\n0.250000 0.589431 0.910569 F\n",
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{
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]
}